N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide

C16H16Cl2N8O2S — CID 71461427

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(N(C)S(C)(=O)=O)c2)n1
InChIInChI=1S/C16H16Cl2N8O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26(2)29(3,27)28/h4-7H,1-3H3,(H,21,24)(H2,19,22,23,25)
InChIKeyMKRQPBYFQSHXDH-UHFFFAOYSA-N
MW455.33 g/mol
LogP2.67
Rot. Bonds5

About N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 71461427) has the molecular formula C16H16Cl2N8O2S and a molecular weight of 455.33 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide
PubChem CID71461427
Molecular FormulaC16H16Cl2N8O2S
Molecular Weight455.33 g/mol
Exact Mass454.05
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(N(C)S(C)(=O)=O)c2)n1
InChIInChI=1S/C16H16Cl2N8O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26(2)29(3,27)28/h4-7H,1-3H3,(H,21,24)(H2,19,22,23,25)
InChIKeyMKRQPBYFQSHXDH-UHFFFAOYSA-N
XLogP2.67
TPSA139.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
CID 91826086
N-(5-{[3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-5-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]amino}-2-Chloropyridin-3-Yl)methanesulfonamide
CID 49785344
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548288
4-Methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-3-yl]-1,3,5-triazin-2-amine
CID 49785166
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5-chloropyridin-2-ylamino)-2-methylpyridin-3-YL)methanesulfonamide
CID 59548192
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(4-morpholinylmethyl)-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548260
N5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-YL)-2-chloropyridine-3,5-diamine
CID 59548308
4-(2-(2-Methoxypyrimidin-5-ylamino)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548316
2-Amino-4-[2-[[6-chloro-5-[[methyl(propan-2-yl)sulfamoyl]amino]-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine
CID 59548353
4-[2-[(5-Fluoro-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548355
N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholinomethyl)pyridin-2-ylamino)-2-chloropyridin-3-yl)methanesulfonamide
CID 59548408
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)morpholine-4-sulfonamide
CID 59548444

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide (CID 71461427) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide is Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(N(C)S(C)(=O)=O)c2)n1.
What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is MKRQPBYFQSHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N8O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26(2)29(3,27)28/h4-7H,1-3H3,(H,21,24)(H2,19,22,23,25).
What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 455.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71461427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).